1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene

C22H32 — CID 165068605

IUPAC1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
SMILESCc1cc(C)c(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C12H18.C10H14/c1-8(2)12-10(4)6-9(3)7-11(12)5;1-8(2)10-6-4-9(3)5-7-10/h6-8H,1-5H3;4-8H,1-3H3
InChIKeySJLUMJZKGNHTNB-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.85
Rot. Bonds2

About 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene

1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene (PubChem CID 165068605) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
PubChem CID165068605
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
SMILESCc1cc(C)c(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C12H18.C10H14/c1-8(2)12-10(4)6-9(3)7-11(12)5;1-8(2)10-6-4-9(3)5-7-10/h6-8H,1-5H3;4-8H,1-3H3
InChIKeySJLUMJZKGNHTNB-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1,3-dimethyl-2,5-di(propan-2-yl)benzene
CID 59820900
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
2,4-dimethylaniline;4-propan-2-ylaniline
CID 158951075
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene?
The IUPAC name of 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene (CID 165068605) is 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene is Cc1cc(C)c(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene?
The InChIKey is SJLUMJZKGNHTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C10H14/c1-8(2)12-10(4)6-9(3)7-11(12)5;1-8(2)10-6-4-9(3)5-7-10/h6-8H,1-5H3;4-8H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene?
1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene has a molecular weight of 296.50 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene is sourced from PubChem (CID 165068605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).